1-(benzenesulfonyl)-N-(1-hydroxy-2-adamantyl)piperidine-4-carboxamide

C22H30N2O4S — CID 24956832

IUPAC1-(benzenesulfonyl)-N-(1-hydroxy-2-adamantyl)piperidine-4-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1(O)C3)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C22H30N2O4S/c25-21(23-20-18-11-15-10-16(12-18)14-22(20,26)13-15)17-6-8-24(9-7-17)29(27,28)19-4-2-1-3-5-19/h1-5,15-18,20,26H,6-14H2,(H,23,25)
InChIKeyAIXZYOYJSLOJJQ-UHFFFAOYSA-N
MW418.56 g/mol
LogP2.14
Rot. Bonds4

About 1-(benzenesulfonyl)-N-(1-hydroxy-2-adamantyl)piperidine-4-carboxamide

1-(benzenesulfonyl)-N-(1-hydroxy-2-adamantyl)piperidine-4-carboxamide (PubChem CID 24956832) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(1-hydroxy-2-adamantyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(1-hydroxy-2-adamantyl)piperidine-4-carboxamide
PubChem CID24956832
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC Name1-(benzenesulfonyl)-N-(1-hydroxy-2-adamantyl)piperidine-4-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1(O)C3)C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C22H30N2O4S/c25-21(23-20-18-11-15-10-16(12-18)14-22(20,26)13-15)17-6-8-24(9-7-17)29(27,28)19-4-2-1-3-5-19/h1-5,15-18,20,26H,6-14H2,(H,23,25)
InChIKeyAIXZYOYJSLOJJQ-UHFFFAOYSA-N
XLogP2.14
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]piperidine-4-carboxamide
CID 100644384
1-(benzenesulfonyl)-N-(2-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide
CID 131956185
1-(benzenesulfonyl)-N-[(7S,9S)-1-hydroxy-4-tricyclo[5.3.1.03,9]undecanyl]piperidine-4-carboxamide
CID 71146847
N-[4-(1-adamantyl)phenyl]-1-(benzenesulfonyl)piperidine-4-carboxamide
CID 100644610
N-[(1R,2R)-2-benzamidocyclohexyl]-1-(benzenesulfonyl)piperidine-4-carboxamide
CID 51071212
N-(5-hydroxy-2-adamantyl)-1-pyridin-2-ylsulfonylpiperidine-4-carboxamide
CID 24955047
N-(1-adamantyl)-4-(benzenesulfonyl)piperazine-1-carboxamide
CID 108896114
1-(benzenesulfonyl)-N-[2-(ethylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 18110259
1-(benzenesulfonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 23826158
1-(benzenesulfonyl)-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
CID 100646232
1-(benzenesulfonyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]piperidine-4-carboxamide
CID 7130571
N-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 133167683

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(1-hydroxy-2-adamantyl)piperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(1-hydroxy-2-adamantyl)piperidine-4-carboxamide (CID 24956832) is 1-(benzenesulfonyl)-N-(1-hydroxy-2-adamantyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(1-hydroxy-2-adamantyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(1-hydroxy-2-adamantyl)piperidine-4-carboxamide is O=C(NC1C2CC3CC(C2)CC1(O)C3)C1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-N-(1-hydroxy-2-adamantyl)piperidine-4-carboxamide?
The InChIKey is AIXZYOYJSLOJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S/c25-21(23-20-18-11-15-10-16(12-18)14-22(20,26)13-15)17-6-8-24(9-7-17)29(27,28)19-4-2-1-3-5-19/h1-5,15-18,20,26H,6-14H2,(H,23,25).
What are the key properties of 1-(benzenesulfonyl)-N-(1-hydroxy-2-adamantyl)piperidine-4-carboxamide?
1-(benzenesulfonyl)-N-(1-hydroxy-2-adamantyl)piperidine-4-carboxamide has a molecular weight of 418.56 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(1-hydroxy-2-adamantyl)piperidine-4-carboxamide is sourced from PubChem (CID 24956832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).